Inorganic Solid Phases

ZrMn1.6V0.4D3.54 (ZrV0.4Mn1.6D3.54, T = 30 K) Crystal Structure

General Information

  • Phase Label(s): ZrV0.4Mn1.6D3.54
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP60
  • Space Group: 194
  • Phase Prototype: ZrMn2H3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Centre d'Etudes Nucléaires CEN, SILOE reactor, DN5 (determination of structural parameters), neutrons; λ = 0.142 nm (determination of cell and structural parameters), T = 30 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): deuteride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.011; RB = 0.062
  • Sample Detail(s): sample prepared from ZrMn1.6V0.4, D2, gravimetry; D53.8Mn24.7V6.2Zr15.3; trace amounts of Zr3Mn3[OH]x, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: ZrV0.4Mn1.6D3.54
  • Alphabetic Formula: D3.54Mn1.6V0.4Zr
  • Published Formula: ZrMn1.6V0.4D3.54
  • Refined Formula: D3.54Mn1.60V0.40Zr
  • Wyckoff Sequence: 194,lkh3fa
  • Z Formula Units: 4
  • Density: ρ = 5.97 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1522834

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

    Citation copied